Reg cocktails pytorch embedding roc

autoPyTorch/api/base_task.py

@@ -256,6 +256,7 @@ def __init__(
         self.input_validator: Optional[BaseInputValidator] = None
 
         self.search_space_updates = search_space_updates
+
         if search_space_updates is not None:
             if not isinstance(self.search_space_updates,
                               HyperparameterSearchSpaceUpdates):

autoPyTorch/constants.py

@@ -78,3 +78,5 @@
 
 # To avoid that we get a sequence that is too long to be fed to a network
 MAX_WINDOW_SIZE_BASE = 500
+
+MIN_CATEGORIES_FOR_EMBEDDING_MAX = 7

autoPyTorch/data/base_feature_validator.py

@@ -46,11 +46,11 @@ def __init__(
 
         # Required for dataset properties
         self.num_features: Optional[int] = None
-        self.categories: List[List[int]] = []
         self.categorical_columns: List[int] = []
         self.numerical_columns: List[int] = []
         self.encode_columns: List[str] = []
 
+        self.num_categories_per_col: Optional[List[int]] = []
         self.all_nan_columns: Optional[Set[Union[int, str]]] = None
 
         self._is_fitted = False

autoPyTorch/data/tabular_feature_validator.py

@@ -77,10 +77,9 @@ class TabularFeatureValidator(BaseFeatureValidator):
     transformer.
 
     Attributes:
-        categories (List[List[str]]):
-            List for which an element at each index is a
-            list containing the categories for the respective
-            categorical column.
+        num_categories_per_col (List[int]):
+            List for which an element at each index is the number
+            of categories for the respective categorical column.
         transformed_columns (List[str])
             List of columns that were transformed.
         column_transformer (Optional[BaseEstimator])
@@ -202,10 +201,8 @@ def _fit(
                 encoded_categories = self.column_transformer.\
                     named_transformers_['categorical_pipeline'].\
                     named_steps['ordinalencoder'].categories_
-                self.categories = [
-                    list(range(len(cat)))
-                    for cat in encoded_categories
-                ]
+
+                self.num_categories_per_col = [len(cat) for cat in encoded_categories]
 
             # differently to categorical_columns and numerical_columns,
             # this saves the index of the column.
@@ -283,7 +280,6 @@ def transform(
             X = self.numpy_to_pandas(X)
 
         if ispandas(X) and not issparse(X):
-
             if self.all_nan_columns is None:
                 raise ValueError('_fit must be called before calling transform')
 

autoPyTorch/data/tabular_validator.py

@@ -111,6 +111,8 @@ def _compress_dataset(
                 y=y,
                 is_classification=self.is_classification,
                 random_state=self.seed,
+                categorical_columns=self.feature_validator.categorical_columns,
+                n_categories_per_cat_column=self.feature_validator.num_categories_per_col,
                 **self.dataset_compression  # type: ignore [arg-type]
             )
             self._reduced_dtype = dict(X.dtypes) if is_dataframe else X.dtype

autoPyTorch/data/utils.py

@@ -25,6 +25,7 @@
 from sklearn.utils import _approximate_mode, check_random_state
 from sklearn.utils.validation import _num_samples, check_array
 
+from autoPyTorch.constants import MIN_CATEGORIES_FOR_EMBEDDING_MAX
 from autoPyTorch.data.base_target_validator import SupportedTargetTypes
 from autoPyTorch.utils.common import ispandas
 
@@ -459,8 +460,8 @@ def _subsample_by_indices(
     return X, y
 
 
-def megabytes(arr: DatasetCompressionInputType) -> float:
-
+def get_raw_memory_usage(arr: DatasetCompressionInputType) -> float:
+    memory_in_bytes: float
     if isinstance(arr, np.ndarray):
         memory_in_bytes = arr.nbytes
     elif issparse(arr):
@@ -470,19 +471,57 @@ def megabytes(arr: DatasetCompressionInputType) -> float:
     else:
         raise ValueError(f"Unrecognised data type of X, expected data type to "
                          f"be in (np.ndarray, spmatrix, pd.DataFrame) but got :{type(arr)}")
+    return memory_in_bytes
+
+
+def get_approximate_mem_usage_in_mb(
+    arr: DatasetCompressionInputType,
+    categorical_columns: List,
+    n_categories_per_cat_column: Optional[List[int]] = None
+) -> float:
+
+    err_msg = "Value number of categories per categorical is required when the data has categorical columns"
+    if ispandas(arr):
+        arr_dtypes = arr.dtypes.to_dict()
+        multipliers = [dtype.itemsize for col, dtype in arr_dtypes.items() if col not in categorical_columns]
+        if len(categorical_columns) > 0:
+            if n_categories_per_cat_column is None:
+                raise ValueError(err_msg)
+            for col, num_cat in zip(categorical_columns, n_categories_per_cat_column):
+                if num_cat < MIN_CATEGORIES_FOR_EMBEDDING_MAX:
+                    multipliers.append(num_cat * arr_dtypes[col].itemsize)
+                else:
+                    multipliers.append(arr_dtypes[col].itemsize)
+        size_one_row = sum(multipliers)
+
+    elif isinstance(arr, (np.ndarray, spmatrix)):
+        n_cols = arr.shape[-1] - len(categorical_columns)
+        multiplier = arr.dtype.itemsize
+        if len(categorical_columns) > 0:
+            if n_categories_per_cat_column is None:
+                raise ValueError(err_msg)
+            # multiply num categories with the size of the column to capture memory after one hot encoding
+            n_cols += sum(num_cat if num_cat < MIN_CATEGORIES_FOR_EMBEDDING_MAX else 1 for num_cat in n_categories_per_cat_column)
+        size_one_row = n_cols * multiplier
+    else:
+        raise ValueError(f"Unrecognised data type of X, expected data type to "
+                         f"be in (np.ndarray, spmatrix, pd.DataFrame), but got :{type(arr)}")
 
-    return float(memory_in_bytes / (2**20))
+    return float(arr.shape[0] * size_one_row / (2**20))
 
 
 def reduce_dataset_size_if_too_large(
     X: DatasetCompressionInputType,
     memory_allocation: Union[int, float],
     is_classification: bool,
     random_state: Union[int, np.random.RandomState],
+    categorical_columns: List,
+    n_categories_per_cat_column: Optional[List[int]] = None,
     y: Optional[SupportedTargetTypes] = None,
     methods: List[str] = ['precision', 'subsample'],
 ) -> DatasetCompressionInputType:
-    f""" Reduces the size of the dataset if it's too close to the memory limit.
+    f"""
+    Reduces the size of the dataset if it's too close to the memory limit.
 
     Follows the order of the operations passed in and retains the type of its
     input.
@@ -513,7 +552,6 @@ def reduce_dataset_size_if_too_large(
                 Reduce the amount of samples of the dataset such that it fits into the allocated
                 memory. Ensures stratification and that unique labels are present
 
-
         memory_allocation (Union[int, float]):
             The amount of memory to allocate to the dataset. It should specify an
             absolute amount.
@@ -524,7 +562,7 @@ def reduce_dataset_size_if_too_large(
     """
 
     for method in methods:
-        if megabytes(X) <= memory_allocation:
+        if get_approximate_mem_usage_in_mb(X, categorical_columns, n_categories_per_cat_column) <= memory_allocation:
             break
 
         if method == 'precision':
@@ -540,7 +578,8 @@ def reduce_dataset_size_if_too_large(
             # into the allocated memory, we subsample it so that it does
 
             n_samples_before = X.shape[0]
-            sample_percentage = memory_allocation / megabytes(X)
+            sample_percentage = memory_allocation / get_approximate_mem_usage_in_mb(
+                X, categorical_columns, n_categories_per_cat_column)
 
             # NOTE: type ignore
             #

autoPyTorch/datasets/tabular_dataset.py

@@ -81,7 +81,7 @@ def __init__(self,
         self.categorical_columns = validator.feature_validator.categorical_columns
         self.numerical_columns = validator.feature_validator.numerical_columns
         self.num_features = validator.feature_validator.num_features
-        self.categories = validator.feature_validator.categories
+        self.num_categories_per_col = validator.feature_validator.num_categories_per_col
 
         super().__init__(train_tensors=(X, Y), test_tensors=(X_test, Y_test), shuffle=shuffle,
                          resampling_strategy=resampling_strategy,

autoPyTorch/datasets/time_series_dataset.py

@@ -559,7 +559,7 @@ def __init__(self,
         self.num_features: int = self.validator.feature_validator.num_features  # type: ignore[assignment]
         self.num_targets: int = self.validator.target_validator.out_dimensionality  # type: ignore[assignment]
 
-        self.categories = self.validator.feature_validator.categories
+        self.num_categories_per_col = self.validator.feature_validator.num_categories_per_col
 
         self.feature_shapes = self.validator.feature_shapes
         self.feature_names = tuple(self.validator.feature_names)
@@ -1072,7 +1072,7 @@ def get_required_dataset_info(self) -> Dict[str, Any]:
             'categorical_features': self.categorical_features,
             'numerical_columns': self.numerical_columns,
             'categorical_columns': self.categorical_columns,
-            'categories': self.categories,
+            'num_categories_per_col': self.num_categories_per_col,
         })
         return info
 

autoPyTorch/evaluation/train_evaluator.py

@@ -1,3 +1,5 @@
+import json
+import os
 from multiprocessing.queues import Queue
 from typing import Any, Dict, List, Optional, Tuple, Union
 
@@ -20,7 +22,9 @@
     fit_and_suppress_warnings
 )
 from autoPyTorch.evaluation.utils import DisableFileOutputParameters
+from autoPyTorch.pipeline.base_pipeline import BasePipeline
 from autoPyTorch.pipeline.components.training.metrics.base import autoPyTorchMetric
+from autoPyTorch.pipeline.tabular_classification import TabularClassificationPipeline
 from autoPyTorch.utils.common import dict_repr, subsampler
 from autoPyTorch.utils.hyperparameter_search_space_update import HyperparameterSearchSpaceUpdates
 
@@ -193,6 +197,8 @@ def fit_predict_and_loss(self) -> None:
             additional_run_info = pipeline.get_additional_run_info() if hasattr(
                 pipeline, 'get_additional_run_info') else {}
 
+            # self._write_run_summary(pipeline)
+
             status = StatusType.SUCCESS
 
             self.logger.debug("In train evaluator.fit_predict_and_loss, num_run: {} loss:{},"
@@ -348,6 +354,27 @@ def fit_predict_and_loss(self) -> None:
                 status=status,
             )
 
+    def _write_run_summary(self, pipeline: BasePipeline) -> None:
+        # add learning curve of configurations to additional_run_info
+        if isinstance(pipeline, TabularClassificationPipeline):
+            assert isinstance(self.configuration, Configuration)
+            if hasattr(pipeline.named_steps['trainer'], 'run_summary'):
+                run_summary = pipeline.named_steps['trainer'].run_summary
+                split_types = ['train', 'val', 'test']
+                run_summary_dict = dict(
+                    run_summary={},
+                    budget=self.budget,
+                    seed=self.seed,
+                    config_id=self.configuration.config_id,
+                    num_run=self.num_run)
+                for split_type in split_types:
+                    run_summary_dict['run_summary'][f'{split_type}_loss'] = run_summary.performance_tracker.get(
+                        f'{split_type}_loss', None)
+                    run_summary_dict['run_summary'][f'{split_type}_metrics'] = run_summary.performance_tracker.get(
+                        f'{split_type}_metrics', None)
+                with open(os.path.join(self.backend.temporary_directory, 'run_summary.txt'), 'a') as file:
+                    file.write(f"{json.dumps(run_summary_dict)}\n")
+
     def _fit_and_predict(self, pipeline: BaseEstimator, fold: int, train_indices: Union[np.ndarray, List],
                          test_indices: Union[np.ndarray, List],
                          add_pipeline_to_self: bool

autoPyTorch/pipeline/base_pipeline.py

@@ -300,8 +300,7 @@ def _get_hyperparameter_search_space(self,
     def _add_forbidden_conditions(self, cs: ConfigurationSpace) -> ConfigurationSpace:
         """
         Add forbidden conditions to ensure valid configurations.
-        Currently, Learned Entity Embedding is only valid when encoder is one hot encoder
-        and CyclicLR is disabled when using stochastic weight averaging and snapshot
+        Currently, CyclicLR is disabled when using stochastic weight averaging and snapshot
         ensembling.
 
         Args:
@@ -314,33 +313,6 @@ def _add_forbidden_conditions(self, cs: ConfigurationSpace) -> ConfigurationSpac
 
         """
 
-        # Learned Entity Embedding is only valid when encoder is one hot encoder
-        if 'network_embedding' in self.named_steps.keys() and 'encoder' in self.named_steps.keys():
-            embeddings = cs.get_hyperparameter('network_embedding:__choice__').choices
-            if 'LearnedEntityEmbedding' in embeddings:
-                encoders = cs.get_hyperparameter('encoder:__choice__').choices
-                possible_default_embeddings = copy(list(embeddings))
-                del possible_default_embeddings[possible_default_embeddings.index('LearnedEntityEmbedding')]
-
-                for encoder in encoders:
-                    if encoder == 'OneHotEncoder':
-                        continue
-                    while True:
-                        try:
-                            cs.add_forbidden_clause(ForbiddenAndConjunction(
-                                ForbiddenEqualsClause(cs.get_hyperparameter(
-                                    'network_embedding:__choice__'), 'LearnedEntityEmbedding'),
-                                ForbiddenEqualsClause(cs.get_hyperparameter('encoder:__choice__'), encoder)
-                            ))
-                            break
-                        except ValueError:
-                            # change the default and try again
-                            try:
-                                default = possible_default_embeddings.pop()
-                            except IndexError:
-                                raise ValueError("Cannot find a legal default configuration")
-                            cs.get_hyperparameter('network_embedding:__choice__').default_value = default
-
         # Disable CyclicLR until todo is completed.
         if 'lr_scheduler' in self.named_steps.keys() and 'trainer' in self.named_steps.keys():
             trainers = cs.get_hyperparameter('trainer:__choice__').choices
@@ -350,16 +322,19 @@ def _add_forbidden_conditions(self, cs: ConfigurationSpace) -> ConfigurationSpac
                 cyclic_lr_name = 'CyclicLR'
                 if cyclic_lr_name in available_schedulers:
                     # disable snapshot ensembles and stochastic weight averaging
-                    cs.add_forbidden_clause(ForbiddenAndConjunction(
-                        ForbiddenEqualsClause(cs.get_hyperparameter(
-                            f'trainer:{trainer}:use_snapshot_ensemble'), True),
-                        ForbiddenEqualsClause(cs.get_hyperparameter('lr_scheduler:__choice__'), cyclic_lr_name)
-                    ))
-                    cs.add_forbidden_clause(ForbiddenAndConjunction(
-                        ForbiddenEqualsClause(cs.get_hyperparameter(
-                            f'trainer:{trainer}:use_stochastic_weight_averaging'), True),
-                        ForbiddenEqualsClause(cs.get_hyperparameter('lr_scheduler:__choice__'), cyclic_lr_name)
-                    ))
+                    snapshot_ensemble_hyperparameter = cs.get_hyperparameter(f'trainer:{trainer}:use_snapshot_ensemble')
+                    if hasattr(snapshot_ensemble_hyperparameter, 'choices') and \
+                            True in snapshot_ensemble_hyperparameter.choices:
+                        cs.add_forbidden_clause(ForbiddenAndConjunction(
+                            ForbiddenEqualsClause(snapshot_ensemble_hyperparameter, True),
+                            ForbiddenEqualsClause(cs.get_hyperparameter('lr_scheduler:__choice__'), cyclic_lr_name)
+                        ))
+                    swa_hyperparameter = cs.get_hyperparameter(f'trainer:{trainer}:use_stochastic_weight_averaging')
+                    if hasattr(swa_hyperparameter, 'choices') and True in swa_hyperparameter.choices:
+                        cs.add_forbidden_clause(ForbiddenAndConjunction(
+                            ForbiddenEqualsClause(swa_hyperparameter, True),
+                            ForbiddenEqualsClause(cs.get_hyperparameter('lr_scheduler:__choice__'), cyclic_lr_name)
+                        ))
         return cs
 
     def __repr__(self) -> str:

autoPyTorch/pipeline/components/preprocessing/tabular_preprocessing/TabularColumnTransformer.py

@@ -23,7 +23,10 @@ def __init__(self, random_state: Optional[Union[np.random.RandomState, int]] = N
         self.preprocessor: Optional[ColumnTransformer] = None
         self.add_fit_requirements([
             FitRequirement('numerical_columns', (List,), user_defined=True, dataset_property=True),
-            FitRequirement('categorical_columns', (List,), user_defined=True, dataset_property=True)])
+            FitRequirement('categorical_columns', (List,), user_defined=True, dataset_property=True),
+            FitRequirement('encode_columns', (List,), user_defined=False, dataset_property=False),
+            FitRequirement('embed_columns', (List,), user_defined=False, dataset_property=False)])
+
 
     def get_column_transformer(self) -> ColumnTransformer:
         """
@@ -52,17 +55,31 @@ def fit(self, X: Dict[str, Any], y: Any = None) -> "TabularColumnTransformer":
         self.check_requirements(X, y)
 
         preprocessors = get_tabular_preprocessers(X)
+
         column_transformers: List[Tuple[str, BaseEstimator, List[int]]] = []
+
+        numerical_pipeline = 'passthrough'
+        encode_pipeline = 'passthrough'
+
         if len(preprocessors['numerical']) > 0:
             numerical_pipeline = make_pipeline(*preprocessors['numerical'])
-            column_transformers.append(
-                ('numerical_pipeline', numerical_pipeline, X['dataset_properties']['numerical_columns'])
-            )
-        if len(preprocessors['categorical']) > 0:
-            categorical_pipeline = make_pipeline(*preprocessors['categorical'])
-            column_transformers.append(
-                ('categorical_pipeline', categorical_pipeline, X['dataset_properties']['categorical_columns'])
-            )
+
+        column_transformers.append(
+            ('numerical_pipeline', numerical_pipeline, X['dataset_properties']['numerical_columns'])
+        )
+
+        if len(preprocessors['encode']) > 0:
+            encode_pipeline = make_pipeline(*preprocessors['encode'])
+
+        column_transformers.append(
+            ('encode_pipeline', encode_pipeline, X['encode_columns'])
+        )
+
+        # if len(preprocessors['categorical']) > 0:
+        #     categorical_pipeline = make_pipeline(*preprocessors['categorical'])
+        #     column_transformers.append(
+        #         ('categorical_pipeline', categorical_pipeline, X['dataset_properties']['categorical_columns'])
+        #     )
 
         # in case the preprocessing steps are disabled
         # i.e, NoEncoder for categorical, we want to